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  1. Third-Parties
  2. MatprojStructure
  3. mp-759565

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-759565
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'F']
  • Chemical System: F-Li-Mn
  • Density: 3.1996767949461966
  • Atomic Density: 0.08562565699018003
  • Unit Cell Volume: 794.1544904910753
  • Molar Volume: 7.033103127828436
  • Full Formula: Li16 Mn12 F40
  • Reduced Formula: Li4Mn3F10
  • Formula Anonymous: A3B4C10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -422.92058848
  • Final energy per atom: -6.219420418823529
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.